CID 5783157

623936-19-6

Structural Information

Molecular Formula
C30H26FN3O3S2
SMILES
CC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)F
InChI
InChI=1S/C30H26FN3O3S2/c1-19-9-11-21(16-24(19)31)28-22(18-34(32-28)23-7-5-4-6-8-23)17-27-29(35)33(30(38)39-27)14-13-20-10-12-25(36-2)26(15-20)37-3/h4-12,15-18H,13-14H2,1-3H3/b27-17-
InChIKey
GPVDQTQNTCEAKQ-PKAZHMFMSA-N
Compound name
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.13995 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.14723 236.7
[M+Na]+ 582.12917 250.9
[M+NH4]+ 577.17377 242.0
[M+K]+ 598.10311 241.4
[M-H]- 558.13267 243.1
[M+Na-2H]- 580.11462 243.5
[M]+ 559.13940 241.4
[M]- 559.14050 241.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.